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17959-64-7

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Basic Information
CAS No.: 17959-64-7
Name: 2-PHENOXYETHYLAMINEHCL
Article Data: 2
Molecular Structure:
Molecular Structure of 17959-64-7 (2-PHENOXYETHYLAMINEHCL)
Formula: C8H12ClNO
Molecular Weight: 173.642
Synonyms: Ethanamine,2-phenoxy-, hydrochloride (9CI);Ethylamine, 2-phenoxy-, hydrochloride(6CI,8CI);2-Phenoxyethylamine hydrochloride;
Boiling Point: 230.3 °C at 760 mmHg
Flash Point: 97.9 °C
PSA: 35.25000
LogP: 2.52640
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Specification

The CAS registry number of Ethanamine, 2-phenoxy-,hydrochloride (1:1) is 17959-64-7. This chemical is also named as 2-Phenoxyethanaminehydrochloride. In addition, its molecular formula is C8H12ClNO and molecular weight is 173.64. Its systematic name is called 2-phenoxyethanamine hydrochloride (1:1).

Physical properties about Ethanamine, 2-phenoxy-,hydrochloride (1:1) are: (1)ACD/LogP: 0.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.05; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 10.38; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Flash Point: 97.9 °C; (12)Enthalpy of Vaporization: 46.69 kJ/mol; (13)Boiling Point: 230.3 °C at 760 mmHg; (14)Vapour Pressure: 0.0665 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O(c1ccccc1)CCN
(2)InChI: InChI=1/C8H11NO.ClH/c9-6-7-10-8-4-2-1-3-5-8;/h1-5H,6-7,9H2;1H
(3)InChIKey: UQJNPPXLUJHLCR-UHFFFAOYAD